USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 9 SER OG : rot -135:sc= 0.827 USER MOD Set 2.1: A 9 SER OG : rot -135:sc= 0.49! USER MOD Set 2.2: B 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -144:sc= -0.5 (180deg=-1.26) USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= -0.257 (180deg=-1.74!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 24 ASN : amide:sc= -1.23 K(o=-1.2,f=0.37) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ -138:sc= -0.573 (180deg=-1.23) USER MOD Single : B 20 LYS NZ :NH3+ -139:sc= -0.254 (180deg=-1.58!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : B 24 ASN : amide:sc= -1.28 K(o=-1.3,f=0.1) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -28.996 -17.926 -26.858 1.00 0.00 N ATOM 2 CA ARG A 1 -28.582 -16.542 -26.489 1.00 0.00 C ATOM 3 C ARG A 1 -27.266 -16.574 -25.707 1.00 0.00 C ATOM 4 O ARG A 1 -26.326 -15.874 -26.025 1.00 0.00 O ATOM 5 CB ARG A 1 -29.715 -16.009 -25.612 1.00 0.00 C ATOM 6 CG ARG A 1 -30.634 -15.117 -26.449 1.00 0.00 C ATOM 7 CD ARG A 1 -31.271 -14.054 -25.552 1.00 0.00 C ATOM 8 NE ARG A 1 -31.343 -12.831 -26.398 1.00 0.00 N ATOM 9 CZ ARG A 1 -32.325 -11.986 -26.241 1.00 0.00 C ATOM 10 NH1 ARG A 1 -32.411 -11.282 -25.145 1.00 0.00 N ATOM 11 NH2 ARG A 1 -33.220 -11.843 -27.180 1.00 0.00 N ATOM 0 H1 ARG A 1 -29.890 -17.891 -27.388 1.00 0.00 H new ATOM 0 H2 ARG A 1 -28.260 -18.363 -27.449 1.00 0.00 H new ATOM 0 H3 ARG A 1 -29.127 -18.491 -25.995 1.00 0.00 H new ATOM 0 HA ARG A 1 -28.415 -15.914 -27.364 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -30.282 -16.838 -25.189 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -29.306 -15.443 -24.775 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -30.066 -14.641 -27.248 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -31.409 -15.719 -26.924 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -32.262 -14.362 -25.217 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -30.672 -13.881 -24.658 1.00 0.00 H new ATOM 0 HE ARG A 1 -30.625 -12.654 -27.100 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -31.711 -11.392 -24.412 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -33.178 -10.621 -25.022 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -33.152 -12.392 -28.037 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -33.987 -11.182 -27.057 1.00 0.00 H new ATOM 27 N MET A 2 -27.193 -17.383 -24.685 1.00 0.00 N ATOM 28 CA MET A 2 -25.938 -17.459 -23.883 1.00 0.00 C ATOM 29 C MET A 2 -25.119 -18.684 -24.300 1.00 0.00 C ATOM 30 O MET A 2 -25.641 -19.637 -24.843 1.00 0.00 O ATOM 31 CB MET A 2 -26.403 -17.593 -22.433 1.00 0.00 C ATOM 32 CG MET A 2 -25.990 -16.346 -21.649 1.00 0.00 C ATOM 33 SD MET A 2 -26.699 -14.877 -22.433 1.00 0.00 S ATOM 34 CE MET A 2 -25.339 -13.743 -22.063 1.00 0.00 C ATOM 0 H MET A 2 -27.947 -17.994 -24.371 1.00 0.00 H new ATOM 0 HA MET A 2 -25.301 -16.586 -24.027 1.00 0.00 H new ATOM 0 HB2 MET A 2 -27.485 -17.717 -22.397 1.00 0.00 H new ATOM 0 HB3 MET A 2 -25.965 -18.482 -21.980 1.00 0.00 H new ATOM 0 HG2 MET A 2 -26.333 -16.422 -20.617 1.00 0.00 H new ATOM 0 HG3 MET A 2 -24.903 -16.266 -21.618 1.00 0.00 H new ATOM 0 HE1 MET A 2 -25.569 -12.756 -22.464 1.00 0.00 H new ATOM 0 HE2 MET A 2 -25.206 -13.674 -20.983 1.00 0.00 H new ATOM 0 HE3 MET A 2 -24.421 -14.115 -22.519 1.00 0.00 H new ATOM 44 N LYS A 3 -23.838 -18.667 -24.047 1.00 0.00 N ATOM 45 CA LYS A 3 -22.987 -19.830 -24.429 1.00 0.00 C ATOM 46 C LYS A 3 -22.091 -20.236 -23.255 1.00 0.00 C ATOM 47 O LYS A 3 -22.405 -19.993 -22.107 1.00 0.00 O ATOM 48 CB LYS A 3 -22.142 -19.335 -25.603 1.00 0.00 C ATOM 49 CG LYS A 3 -23.062 -18.868 -26.734 1.00 0.00 C ATOM 50 CD LYS A 3 -23.701 -20.084 -27.406 1.00 0.00 C ATOM 51 CE LYS A 3 -25.225 -19.950 -27.367 1.00 0.00 C ATOM 52 NZ LYS A 3 -25.657 -20.053 -28.789 1.00 0.00 N ATOM 0 H LYS A 3 -23.345 -17.899 -23.593 1.00 0.00 H new ATOM 0 HA LYS A 3 -23.579 -20.706 -24.695 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -21.499 -18.516 -25.282 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -21.489 -20.133 -25.957 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -23.835 -18.209 -26.339 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -22.494 -18.292 -27.465 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -23.359 -20.163 -28.438 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -23.393 -20.997 -26.897 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -25.675 -20.735 -26.760 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -25.527 -18.998 -26.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -26.692 -19.970 -28.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -25.218 -19.289 -29.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -25.362 -20.972 -29.176 1.00 0.00 H new ATOM 66 N LYS A 4 -20.975 -20.854 -23.535 1.00 0.00 N ATOM 67 CA LYS A 4 -20.060 -21.274 -22.436 1.00 0.00 C ATOM 68 C LYS A 4 -18.604 -21.007 -22.827 1.00 0.00 C ATOM 69 O LYS A 4 -18.247 -21.041 -23.989 1.00 0.00 O ATOM 70 CB LYS A 4 -20.304 -22.775 -22.270 1.00 0.00 C ATOM 71 CG LYS A 4 -21.809 -23.050 -22.262 1.00 0.00 C ATOM 72 CD LYS A 4 -22.052 -24.560 -22.242 1.00 0.00 C ATOM 73 CE LYS A 4 -22.988 -24.942 -23.391 1.00 0.00 C ATOM 74 NZ LYS A 4 -24.162 -25.580 -22.734 1.00 0.00 N ATOM 0 H LYS A 4 -20.658 -21.086 -24.476 1.00 0.00 H new ATOM 0 HA LYS A 4 -20.245 -20.726 -21.512 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -19.828 -23.324 -23.083 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -19.854 -23.127 -21.341 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -22.270 -22.585 -21.390 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -22.275 -22.608 -23.143 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.106 -25.093 -22.337 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -22.490 -24.856 -21.289 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -23.286 -24.065 -23.966 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -22.502 -25.628 -24.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -24.850 -25.870 -23.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -23.849 -26.415 -22.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -24.608 -24.901 -22.085 1.00 0.00 H new ATOM 88 N LYS A 5 -17.761 -20.741 -21.868 1.00 0.00 N ATOM 89 CA LYS A 5 -16.329 -20.471 -22.186 1.00 0.00 C ATOM 90 C LYS A 5 -15.445 -20.825 -20.987 1.00 0.00 C ATOM 91 O LYS A 5 -15.920 -21.281 -19.966 1.00 0.00 O ATOM 92 CB LYS A 5 -16.264 -18.972 -22.478 1.00 0.00 C ATOM 93 CG LYS A 5 -16.792 -18.702 -23.887 1.00 0.00 C ATOM 94 CD LYS A 5 -16.247 -17.365 -24.391 1.00 0.00 C ATOM 95 CE LYS A 5 -16.137 -17.399 -25.917 1.00 0.00 C ATOM 96 NZ LYS A 5 -16.631 -16.068 -26.368 1.00 0.00 N ATOM 0 H LYS A 5 -18.001 -20.699 -20.878 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.973 -21.065 -23.028 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.855 -18.422 -21.745 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.237 -18.618 -22.389 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.491 -19.506 -24.559 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.882 -18.683 -23.881 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.905 -16.553 -24.082 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.270 -17.169 -23.950 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.108 -17.567 -26.235 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.736 -18.206 -26.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.586 -16.014 -27.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.615 -15.939 -26.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.037 -15.320 -25.957 1.00 0.00 H new ATOM 110 N ASP A 6 -14.162 -20.616 -21.102 1.00 0.00 N ATOM 111 CA ASP A 6 -13.249 -20.940 -19.968 1.00 0.00 C ATOM 112 C ASP A 6 -11.789 -20.766 -20.398 1.00 0.00 C ATOM 113 O ASP A 6 -11.356 -21.315 -21.390 1.00 0.00 O ATOM 114 CB ASP A 6 -13.538 -22.403 -19.632 1.00 0.00 C ATOM 115 CG ASP A 6 -14.331 -22.480 -18.326 1.00 0.00 C ATOM 116 OD1 ASP A 6 -14.735 -21.438 -17.838 1.00 0.00 O ATOM 117 OD2 ASP A 6 -14.522 -23.582 -17.836 1.00 0.00 O ATOM 0 H ASP A 6 -13.706 -20.235 -21.931 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.408 -20.286 -19.110 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -14.102 -22.868 -20.440 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.604 -22.956 -19.536 1.00 0.00 H new ATOM 122 N GLU A 7 -11.030 -20.005 -19.657 1.00 0.00 N ATOM 123 CA GLU A 7 -9.600 -19.797 -20.024 1.00 0.00 C ATOM 124 C GLU A 7 -8.706 -19.989 -18.797 1.00 0.00 C ATOM 125 O GLU A 7 -9.180 -20.189 -17.696 1.00 0.00 O ATOM 126 CB GLU A 7 -9.526 -18.352 -20.522 1.00 0.00 C ATOM 127 CG GLU A 7 -10.610 -18.119 -21.576 1.00 0.00 C ATOM 128 CD GLU A 7 -11.914 -17.716 -20.886 1.00 0.00 C ATOM 129 OE1 GLU A 7 -11.878 -17.466 -19.693 1.00 0.00 O ATOM 130 OE2 GLU A 7 -12.928 -17.663 -21.563 1.00 0.00 O ATOM 0 H GLU A 7 -11.338 -19.519 -18.815 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.259 -20.506 -20.778 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.660 -17.662 -19.689 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.542 -18.152 -20.947 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.297 -17.338 -22.269 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.762 -19.025 -22.163 1.00 0.00 H new ATOM 137 N GLY A 8 -7.415 -19.929 -18.977 1.00 0.00 N ATOM 138 CA GLY A 8 -6.491 -20.108 -17.820 1.00 0.00 C ATOM 139 C GLY A 8 -6.104 -18.739 -17.259 1.00 0.00 C ATOM 140 O GLY A 8 -6.724 -18.234 -16.344 1.00 0.00 O ATOM 0 H GLY A 8 -6.960 -19.764 -19.875 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.972 -20.707 -17.047 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.599 -20.650 -18.134 1.00 0.00 H new ATOM 144 N SER A 9 -5.082 -18.134 -17.800 1.00 0.00 N ATOM 145 CA SER A 9 -4.653 -16.798 -17.296 1.00 0.00 C ATOM 146 C SER A 9 -5.689 -15.734 -17.670 1.00 0.00 C ATOM 147 O SER A 9 -6.866 -16.013 -17.788 1.00 0.00 O ATOM 148 CB SER A 9 -3.323 -16.520 -17.994 1.00 0.00 C ATOM 149 OG SER A 9 -2.724 -17.753 -18.370 1.00 0.00 O ATOM 0 H SER A 9 -4.525 -18.507 -18.569 1.00 0.00 H new ATOM 0 HA SER A 9 -4.555 -16.778 -16.211 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.484 -15.897 -18.874 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.659 -15.967 -17.330 1.00 0.00 H new ATOM 0 HG SER A 9 -1.772 -17.739 -18.137 1.00 0.00 H new ATOM 155 N TYR A 10 -5.260 -14.516 -17.857 1.00 0.00 N ATOM 156 CA TYR A 10 -6.220 -13.435 -18.223 1.00 0.00 C ATOM 157 C TYR A 10 -5.588 -12.493 -19.253 1.00 0.00 C ATOM 158 O TYR A 10 -4.441 -12.642 -19.623 1.00 0.00 O ATOM 159 CB TYR A 10 -6.497 -12.691 -16.918 1.00 0.00 C ATOM 160 CG TYR A 10 -6.765 -13.688 -15.815 1.00 0.00 C ATOM 161 CD1 TYR A 10 -7.981 -14.381 -15.779 1.00 0.00 C ATOM 162 CD2 TYR A 10 -5.798 -13.917 -14.829 1.00 0.00 C ATOM 163 CE1 TYR A 10 -8.229 -15.304 -14.756 1.00 0.00 C ATOM 164 CE2 TYR A 10 -6.046 -14.841 -13.807 1.00 0.00 C ATOM 165 CZ TYR A 10 -7.262 -15.535 -13.770 1.00 0.00 C ATOM 166 OH TYR A 10 -7.507 -16.446 -12.763 1.00 0.00 O ATOM 0 H TYR A 10 -4.287 -14.222 -17.772 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.133 -13.829 -18.669 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.644 -12.064 -16.657 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.354 -12.029 -17.040 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.727 -14.204 -16.540 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.861 -13.381 -14.857 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.167 -15.838 -14.727 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.300 -15.019 -13.047 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.733 -16.487 -12.163 1.00 0.00 H new ATOM 176 N ASP A 11 -6.330 -11.526 -19.719 1.00 0.00 N ATOM 177 CA ASP A 11 -5.777 -10.577 -20.722 1.00 0.00 C ATOM 178 C ASP A 11 -4.943 -9.495 -20.031 1.00 0.00 C ATOM 179 O ASP A 11 -4.554 -8.518 -20.639 1.00 0.00 O ATOM 180 CB ASP A 11 -7.001 -9.961 -21.401 1.00 0.00 C ATOM 181 CG ASP A 11 -7.786 -11.054 -22.127 1.00 0.00 C ATOM 182 OD1 ASP A 11 -8.441 -11.833 -21.455 1.00 0.00 O ATOM 183 OD2 ASP A 11 -7.719 -11.094 -23.346 1.00 0.00 O ATOM 0 H ASP A 11 -7.298 -11.353 -19.447 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.119 -11.071 -21.437 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.635 -9.475 -20.660 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.689 -9.192 -22.108 1.00 0.00 H new ATOM 188 N LEU A 12 -4.668 -9.660 -18.764 1.00 0.00 N ATOM 189 CA LEU A 12 -3.862 -8.641 -18.033 1.00 0.00 C ATOM 190 C LEU A 12 -2.701 -8.153 -18.906 1.00 0.00 C ATOM 191 O LEU A 12 -2.019 -8.934 -19.540 1.00 0.00 O ATOM 192 CB LEU A 12 -3.333 -9.369 -16.797 1.00 0.00 C ATOM 193 CG LEU A 12 -4.504 -9.772 -15.901 1.00 0.00 C ATOM 194 CD1 LEU A 12 -4.121 -11.010 -15.085 1.00 0.00 C ATOM 195 CD2 LEU A 12 -4.838 -8.621 -14.950 1.00 0.00 C ATOM 0 H LEU A 12 -4.968 -10.458 -18.204 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.450 -7.762 -17.770 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.769 -10.253 -17.096 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.647 -8.724 -16.248 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.373 -9.998 -16.520 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.956 -11.297 -14.446 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.882 -11.831 -15.761 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.252 -10.784 -14.467 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.673 -8.908 -14.311 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.969 -8.396 -14.332 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.111 -7.738 -15.529 1.00 0.00 H new ATOM 207 N GLY A 13 -2.473 -6.869 -18.943 1.00 0.00 N ATOM 208 CA GLY A 13 -1.358 -6.334 -19.774 1.00 0.00 C ATOM 209 C GLY A 13 -0.032 -6.521 -19.034 1.00 0.00 C ATOM 210 O GLY A 13 0.719 -7.436 -19.310 1.00 0.00 O ATOM 0 H GLY A 13 -3.010 -6.167 -18.434 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.326 -6.850 -20.734 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.523 -5.277 -19.985 1.00 0.00 H new ATOM 214 N LYS A 14 0.262 -5.662 -18.096 1.00 0.00 N ATOM 215 CA LYS A 14 1.538 -5.793 -17.340 1.00 0.00 C ATOM 216 C LYS A 14 1.548 -4.836 -16.146 1.00 0.00 C ATOM 217 O LYS A 14 1.080 -5.161 -15.073 1.00 0.00 O ATOM 218 CB LYS A 14 2.634 -5.427 -18.342 1.00 0.00 C ATOM 219 CG LYS A 14 3.214 -6.703 -18.954 1.00 0.00 C ATOM 220 CD LYS A 14 3.066 -6.653 -20.476 1.00 0.00 C ATOM 221 CE LYS A 14 3.666 -7.920 -21.089 1.00 0.00 C ATOM 222 NZ LYS A 14 5.095 -7.586 -21.340 1.00 0.00 N ATOM 0 H LYS A 14 -0.327 -4.876 -17.821 1.00 0.00 H new ATOM 0 HA LYS A 14 1.679 -6.796 -16.937 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.226 -4.788 -19.125 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.421 -4.859 -17.845 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.265 -6.803 -18.683 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.698 -7.577 -18.556 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.014 -6.568 -20.747 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.569 -5.771 -20.872 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.572 -8.769 -20.412 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.156 -8.191 -22.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.575 -8.407 -21.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.153 -6.779 -21.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.557 -7.338 -20.442 1.00 0.00 H new ATOM 236 N LYS A 15 2.081 -3.660 -16.321 1.00 0.00 N ATOM 237 CA LYS A 15 2.123 -2.683 -15.195 1.00 0.00 C ATOM 238 C LYS A 15 1.598 -1.320 -15.656 1.00 0.00 C ATOM 239 O LYS A 15 2.103 -0.750 -16.604 1.00 0.00 O ATOM 240 CB LYS A 15 3.599 -2.587 -14.812 1.00 0.00 C ATOM 241 CG LYS A 15 4.038 -3.887 -14.135 1.00 0.00 C ATOM 242 CD LYS A 15 4.638 -3.572 -12.763 1.00 0.00 C ATOM 243 CE LYS A 15 3.646 -3.967 -11.668 1.00 0.00 C ATOM 244 NZ LYS A 15 4.479 -4.179 -10.452 1.00 0.00 N ATOM 0 H LYS A 15 2.490 -3.331 -17.196 1.00 0.00 H new ATOM 0 HA LYS A 15 1.502 -2.994 -14.355 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.205 -2.405 -15.700 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.757 -1.744 -14.140 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.186 -4.558 -14.026 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.772 -4.402 -14.755 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.575 -4.113 -12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.871 -2.509 -12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.904 -3.185 -11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.102 -4.872 -11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.868 -4.453 -9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.172 -4.934 -10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.980 -3.299 -10.217 1.00 0.00 H new ATOM 258 N PRO A 16 0.596 -0.840 -14.968 1.00 0.00 N ATOM 259 CA PRO A 16 -0.005 0.471 -15.312 1.00 0.00 C ATOM 260 C PRO A 16 0.931 1.612 -14.901 1.00 0.00 C ATOM 261 O PRO A 16 1.067 1.927 -13.736 1.00 0.00 O ATOM 262 CB PRO A 16 -1.291 0.502 -14.492 1.00 0.00 C ATOM 263 CG PRO A 16 -1.041 -0.422 -13.342 1.00 0.00 C ATOM 264 CD PRO A 16 -0.064 -1.467 -13.817 1.00 0.00 C ATOM 0 HA PRO A 16 -0.183 0.594 -16.380 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.514 1.511 -14.146 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.145 0.172 -15.084 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.637 0.124 -12.490 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.970 -0.886 -13.011 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.653 -1.726 -13.038 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.572 -2.388 -14.102 1.00 0.00 H new ATOM 272 N ILE A 17 1.577 2.233 -15.849 1.00 0.00 N ATOM 273 CA ILE A 17 2.503 3.353 -15.512 1.00 0.00 C ATOM 274 C ILE A 17 1.747 4.684 -15.509 1.00 0.00 C ATOM 275 O ILE A 17 0.556 4.733 -15.743 1.00 0.00 O ATOM 276 CB ILE A 17 3.561 3.341 -16.610 1.00 0.00 C ATOM 277 CG1 ILE A 17 4.004 1.902 -16.886 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.768 4.169 -16.167 1.00 0.00 C ATOM 279 CD1 ILE A 17 3.386 1.420 -18.200 1.00 0.00 C ATOM 0 H ILE A 17 1.504 2.014 -16.843 1.00 0.00 H new ATOM 0 HA ILE A 17 2.944 3.237 -14.522 1.00 0.00 H new ATOM 0 HB ILE A 17 3.139 3.769 -17.519 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.091 1.850 -16.943 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.696 1.252 -16.067 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.524 4.160 -16.953 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.455 5.196 -15.977 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.187 3.743 -15.256 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.702 0.395 -18.396 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.299 1.457 -18.126 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.716 2.064 -19.015 1.00 0.00 H new ATOM 291 N TYR A 18 2.430 5.764 -15.246 1.00 0.00 N ATOM 292 CA TYR A 18 1.750 7.091 -15.229 1.00 0.00 C ATOM 293 C TYR A 18 2.774 8.212 -15.430 1.00 0.00 C ATOM 294 O TYR A 18 2.997 9.025 -14.555 1.00 0.00 O ATOM 295 CB TYR A 18 1.111 7.191 -13.843 1.00 0.00 C ATOM 296 CG TYR A 18 -0.260 7.810 -13.964 1.00 0.00 C ATOM 297 CD1 TYR A 18 -1.242 7.191 -14.749 1.00 0.00 C ATOM 298 CD2 TYR A 18 -0.552 9.003 -13.291 1.00 0.00 C ATOM 299 CE1 TYR A 18 -2.513 7.766 -14.861 1.00 0.00 C ATOM 300 CE2 TYR A 18 -1.823 9.578 -13.404 1.00 0.00 C ATOM 301 CZ TYR A 18 -2.804 8.959 -14.189 1.00 0.00 C ATOM 302 OH TYR A 18 -4.058 9.525 -14.299 1.00 0.00 O ATOM 0 H TYR A 18 3.429 5.786 -15.042 1.00 0.00 H new ATOM 0 HA TYR A 18 1.012 7.188 -16.026 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.036 6.201 -13.393 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.737 7.794 -13.185 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.018 6.270 -15.267 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.204 9.480 -12.685 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.270 7.289 -15.466 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.047 10.499 -12.886 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.093 10.349 -13.769 1.00 0.00 H new ATOM 312 N LYS A 19 3.397 8.260 -16.576 1.00 0.00 N ATOM 313 CA LYS A 19 4.405 9.328 -16.831 1.00 0.00 C ATOM 314 C LYS A 19 4.204 9.922 -18.228 1.00 0.00 C ATOM 315 O LYS A 19 3.792 9.243 -19.148 1.00 0.00 O ATOM 316 CB LYS A 19 5.759 8.624 -16.737 1.00 0.00 C ATOM 317 CG LYS A 19 6.650 9.363 -15.737 1.00 0.00 C ATOM 318 CD LYS A 19 6.374 8.843 -14.325 1.00 0.00 C ATOM 319 CE LYS A 19 7.482 9.314 -13.380 1.00 0.00 C ATOM 320 NZ LYS A 19 7.199 10.758 -13.147 1.00 0.00 N ATOM 0 H LYS A 19 3.252 7.607 -17.346 1.00 0.00 H new ATOM 0 HA LYS A 19 4.324 10.152 -16.122 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.622 7.589 -16.423 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.237 8.599 -17.716 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.700 9.216 -15.991 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.458 10.435 -15.785 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.406 9.204 -13.976 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.325 7.754 -14.330 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.469 8.753 -12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.467 9.171 -13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.096 11.280 -13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.644 11.136 -13.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.660 10.868 -12.264 1.00 0.00 H new ATOM 334 N LYS A 20 4.496 11.184 -18.393 1.00 0.00 N ATOM 335 CA LYS A 20 4.324 11.823 -19.728 1.00 0.00 C ATOM 336 C LYS A 20 4.594 13.327 -19.631 1.00 0.00 C ATOM 337 O LYS A 20 3.721 14.103 -19.297 1.00 0.00 O ATOM 338 CB LYS A 20 2.867 11.560 -20.114 1.00 0.00 C ATOM 339 CG LYS A 20 2.460 12.497 -21.252 1.00 0.00 C ATOM 340 CD LYS A 20 1.637 11.723 -22.282 1.00 0.00 C ATOM 341 CE LYS A 20 2.551 11.250 -23.416 1.00 0.00 C ATOM 342 NZ LYS A 20 3.029 12.500 -24.069 1.00 0.00 N ATOM 0 H LYS A 20 4.847 11.800 -17.660 1.00 0.00 H new ATOM 0 HA LYS A 20 5.016 11.423 -20.469 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.744 10.522 -20.423 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.218 11.715 -19.252 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.879 13.332 -20.860 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.347 12.920 -21.724 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.154 10.868 -21.809 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.844 12.356 -22.680 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.384 10.661 -23.032 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.011 10.617 -24.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.014 12.380 -25.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.407 13.290 -23.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.000 12.705 -23.758 1.00 0.00 H new ATOM 356 N ALA A 21 5.796 13.743 -19.920 1.00 0.00 N ATOM 357 CA ALA A 21 6.120 15.197 -19.844 1.00 0.00 C ATOM 358 C ALA A 21 7.279 15.531 -20.788 1.00 0.00 C ATOM 359 O ALA A 21 8.411 15.172 -20.534 1.00 0.00 O ATOM 360 CB ALA A 21 6.528 15.435 -18.390 1.00 0.00 C ATOM 0 H ALA A 21 6.568 13.140 -20.205 1.00 0.00 H new ATOM 0 HA ALA A 21 5.279 15.824 -20.140 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.783 16.486 -18.251 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.700 15.172 -17.732 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.393 14.817 -18.149 1.00 0.00 H new ATOM 366 N PRO A 22 6.951 16.212 -21.852 1.00 0.00 N ATOM 367 CA PRO A 22 7.975 16.603 -22.852 1.00 0.00 C ATOM 368 C PRO A 22 8.859 17.726 -22.300 1.00 0.00 C ATOM 369 O PRO A 22 8.387 18.614 -21.621 1.00 0.00 O ATOM 370 CB PRO A 22 7.148 17.094 -24.037 1.00 0.00 C ATOM 371 CG PRO A 22 5.842 17.523 -23.447 1.00 0.00 C ATOM 372 CD PRO A 22 5.610 16.677 -22.221 1.00 0.00 C ATOM 0 HA PRO A 22 8.649 15.789 -23.117 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.641 17.921 -24.547 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.007 16.304 -24.774 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.866 18.581 -23.186 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.033 17.390 -24.165 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.153 17.255 -21.418 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.942 15.842 -22.433 1.00 0.00 H new ATOM 380 N THR A 23 10.136 17.680 -22.594 1.00 0.00 N ATOM 381 CA THR A 23 11.083 18.732 -22.101 1.00 0.00 C ATOM 382 C THR A 23 10.649 19.273 -20.733 1.00 0.00 C ATOM 383 O THR A 23 10.022 18.583 -19.953 1.00 0.00 O ATOM 384 CB THR A 23 11.057 19.832 -23.175 1.00 0.00 C ATOM 385 OG1 THR A 23 12.290 20.538 -23.149 1.00 0.00 O ATOM 386 CG2 THR A 23 9.907 20.813 -22.924 1.00 0.00 C ATOM 0 H THR A 23 10.568 16.950 -23.161 1.00 0.00 H new ATOM 0 HA THR A 23 12.088 18.337 -21.955 1.00 0.00 H new ATOM 0 HB THR A 23 10.909 19.366 -24.149 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.280 21.240 -23.833 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.909 21.582 -23.697 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.959 20.276 -22.949 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.034 21.280 -21.947 1.00 0.00 H new ATOM 394 N ASN A 24 10.977 20.500 -20.438 1.00 0.00 N ATOM 395 CA ASN A 24 10.584 21.083 -19.123 1.00 0.00 C ATOM 396 C ASN A 24 11.069 22.531 -19.018 1.00 0.00 C ATOM 397 O ASN A 24 11.961 22.949 -19.731 1.00 0.00 O ATOM 398 CB ASN A 24 11.277 20.207 -18.079 1.00 0.00 C ATOM 399 CG ASN A 24 10.226 19.544 -17.187 1.00 0.00 C ATOM 400 OD1 ASN A 24 9.701 18.500 -17.522 1.00 0.00 O ATOM 401 ND2 ASN A 24 9.893 20.110 -16.060 1.00 0.00 N ATOM 0 H ASN A 24 11.501 21.125 -21.051 1.00 0.00 H new ATOM 0 HA ASN A 24 9.503 21.102 -18.987 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.883 19.446 -18.572 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.954 20.811 -17.474 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.192 19.677 -15.459 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.334 20.986 -15.779 1.00 0.00 H new ATOM 408 N GLU A 25 10.492 23.298 -18.136 1.00 0.00 N ATOM 409 CA GLU A 25 10.922 24.718 -17.987 1.00 0.00 C ATOM 410 C GLU A 25 10.285 25.336 -16.739 1.00 0.00 C ATOM 411 O GLU A 25 9.266 25.995 -16.811 1.00 0.00 O ATOM 412 CB GLU A 25 10.417 25.419 -19.248 1.00 0.00 C ATOM 413 CG GLU A 25 8.890 25.326 -19.309 1.00 0.00 C ATOM 414 CD GLU A 25 8.284 26.712 -19.083 1.00 0.00 C ATOM 415 OE1 GLU A 25 8.692 27.635 -19.770 1.00 0.00 O ATOM 416 OE2 GLU A 25 7.423 26.827 -18.227 1.00 0.00 O ATOM 0 H GLU A 25 9.741 23.004 -17.511 1.00 0.00 H new ATOM 0 HA GLU A 25 12.002 24.812 -17.872 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.728 26.464 -19.245 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.855 24.958 -20.133 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.577 24.934 -20.277 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.527 24.631 -18.552 1.00 0.00 H new ATOM 423 N PHE A 26 10.876 25.126 -15.594 1.00 0.00 N ATOM 424 CA PHE A 26 10.304 25.701 -14.343 1.00 0.00 C ATOM 425 C PHE A 26 11.170 25.317 -13.140 1.00 0.00 C ATOM 426 O PHE A 26 11.512 24.167 -12.952 1.00 0.00 O ATOM 427 CB PHE A 26 8.912 25.081 -14.222 1.00 0.00 C ATOM 428 CG PHE A 26 7.897 26.169 -13.967 1.00 0.00 C ATOM 429 CD1 PHE A 26 7.960 27.369 -14.685 1.00 0.00 C ATOM 430 CD2 PHE A 26 6.890 25.977 -13.011 1.00 0.00 C ATOM 431 CE1 PHE A 26 7.019 28.377 -14.447 1.00 0.00 C ATOM 432 CE2 PHE A 26 5.948 26.985 -12.775 1.00 0.00 C ATOM 433 CZ PHE A 26 6.013 28.185 -13.492 1.00 0.00 C ATOM 0 H PHE A 26 11.730 24.581 -15.471 1.00 0.00 H new ATOM 0 HA PHE A 26 10.264 26.790 -14.370 1.00 0.00 H new ATOM 0 HB2 PHE A 26 8.662 24.542 -15.136 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.895 24.355 -13.409 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.735 27.517 -15.423 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.841 25.051 -12.457 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.069 29.303 -15.000 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.171 26.837 -12.040 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.287 28.963 -13.309 1.00 0.00 H new ATOM 443 N TYR A 27 11.526 26.271 -12.324 1.00 0.00 N ATOM 444 CA TYR A 27 12.370 25.959 -11.135 1.00 0.00 C ATOM 445 C TYR A 27 11.737 26.545 -9.870 1.00 0.00 C ATOM 446 O TYR A 27 11.274 25.826 -9.006 1.00 0.00 O ATOM 447 CB TYR A 27 13.716 26.625 -11.419 1.00 0.00 C ATOM 448 CG TYR A 27 14.255 26.129 -12.740 1.00 0.00 C ATOM 449 CD1 TYR A 27 14.604 24.782 -12.892 1.00 0.00 C ATOM 450 CD2 TYR A 27 14.406 27.017 -13.812 1.00 0.00 C ATOM 451 CE1 TYR A 27 15.103 24.323 -14.117 1.00 0.00 C ATOM 452 CE2 TYR A 27 14.905 26.558 -15.036 1.00 0.00 C ATOM 453 CZ TYR A 27 15.254 25.210 -15.189 1.00 0.00 C ATOM 454 OH TYR A 27 15.746 24.757 -16.396 1.00 0.00 O ATOM 0 H TYR A 27 11.269 27.253 -12.429 1.00 0.00 H new ATOM 0 HA TYR A 27 12.473 24.886 -10.971 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.599 27.708 -11.446 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.421 26.400 -10.619 1.00 0.00 H new ATOM 0 HD1 TYR A 27 14.488 24.097 -12.065 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.137 28.056 -13.694 1.00 0.00 H new ATOM 0 HE1 TYR A 27 15.372 23.284 -14.235 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.021 27.243 -15.863 1.00 0.00 H new ATOM 0 HH TYR A 27 15.786 25.501 -17.033 1.00 0.00 H new ATOM 464 N ALA A 28 11.714 27.844 -9.753 1.00 0.00 N ATOM 465 CA ALA A 28 11.111 28.473 -8.543 1.00 0.00 C ATOM 466 C ALA A 28 11.619 27.779 -7.277 1.00 0.00 C ATOM 467 O ALA A 28 12.783 27.415 -7.250 1.00 0.00 O ATOM 468 CB ALA A 28 9.605 28.270 -8.699 1.00 0.00 C ATOM 469 OXT ALA A 28 10.834 27.622 -6.356 1.00 0.00 O ATOM 0 H ALA A 28 12.086 28.497 -10.442 1.00 0.00 H new ATOM 0 HA ALA A 28 11.372 29.527 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.088 28.707 -7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.266 28.754 -9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.385 27.204 -8.749 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 19.274 -27.277 -4.495 1.00 0.00 N ATOM 477 CA ARG B 1 19.475 -25.904 -5.039 1.00 0.00 C ATOM 478 C ARG B 1 18.248 -25.470 -5.848 1.00 0.00 C ATOM 479 O ARG B 1 17.702 -24.404 -5.642 1.00 0.00 O ATOM 480 CB ARG B 1 20.702 -26.012 -5.944 1.00 0.00 C ATOM 481 CG ARG B 1 21.935 -25.499 -5.196 1.00 0.00 C ATOM 482 CD ARG B 1 22.937 -24.923 -6.199 1.00 0.00 C ATOM 483 NE ARG B 1 23.544 -23.754 -5.505 1.00 0.00 N ATOM 484 CZ ARG B 1 24.787 -23.430 -5.737 1.00 0.00 C ATOM 485 NH1 ARG B 1 25.134 -22.968 -6.907 1.00 0.00 N ATOM 486 NH2 ARG B 1 25.684 -23.568 -4.799 1.00 0.00 N ATOM 0 H1 ARG B 1 20.112 -27.560 -3.949 1.00 0.00 H new ATOM 0 H2 ARG B 1 18.438 -27.286 -3.876 1.00 0.00 H new ATOM 0 H3 ARG B 1 19.131 -27.944 -5.280 1.00 0.00 H new ATOM 0 HA ARG B 1 19.614 -25.164 -4.251 1.00 0.00 H new ATOM 0 HB2 ARG B 1 20.853 -27.048 -6.248 1.00 0.00 H new ATOM 0 HB3 ARG B 1 20.548 -25.432 -6.854 1.00 0.00 H new ATOM 0 HG2 ARG B 1 21.645 -24.734 -4.476 1.00 0.00 H new ATOM 0 HG3 ARG B 1 22.395 -26.310 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG B 1 23.694 -25.659 -6.468 1.00 0.00 H new ATOM 0 HD3 ARG B 1 22.443 -24.621 -7.122 1.00 0.00 H new ATOM 0 HE ARG B 1 22.988 -23.206 -4.848 1.00 0.00 H new ATOM 0 HH11 ARG B 1 24.434 -22.860 -7.641 1.00 0.00 H new ATOM 0 HH12 ARG B 1 26.105 -22.715 -7.088 1.00 0.00 H new ATOM 0 HH21 ARG B 1 25.414 -23.929 -3.884 1.00 0.00 H new ATOM 0 HH22 ARG B 1 26.655 -23.315 -4.981 1.00 0.00 H new ATOM 502 N MET B 2 17.811 -26.289 -6.765 1.00 0.00 N ATOM 503 CA MET B 2 16.621 -25.923 -7.586 1.00 0.00 C ATOM 504 C MET B 2 15.372 -26.625 -7.047 1.00 0.00 C ATOM 505 O MET B 2 15.456 -27.635 -6.378 1.00 0.00 O ATOM 506 CB MET B 2 16.946 -26.414 -8.997 1.00 0.00 C ATOM 507 CG MET B 2 17.080 -25.216 -9.938 1.00 0.00 C ATOM 508 SD MET B 2 18.366 -24.103 -9.318 1.00 0.00 S ATOM 509 CE MET B 2 17.604 -22.553 -9.858 1.00 0.00 C ATOM 0 H MET B 2 18.226 -27.195 -6.982 1.00 0.00 H new ATOM 0 HA MET B 2 16.418 -24.852 -7.565 1.00 0.00 H new ATOM 0 HB2 MET B 2 17.872 -26.988 -8.989 1.00 0.00 H new ATOM 0 HB3 MET B 2 16.160 -27.081 -9.351 1.00 0.00 H new ATOM 0 HG2 MET B 2 17.331 -25.556 -10.943 1.00 0.00 H new ATOM 0 HG3 MET B 2 16.129 -24.687 -10.009 1.00 0.00 H new ATOM 0 HE1 MET B 2 18.241 -21.716 -9.573 1.00 0.00 H new ATOM 0 HE2 MET B 2 17.483 -22.565 -10.941 1.00 0.00 H new ATOM 0 HE3 MET B 2 16.628 -22.443 -9.385 1.00 0.00 H new ATOM 519 N LYS B 3 14.213 -26.096 -7.334 1.00 0.00 N ATOM 520 CA LYS B 3 12.959 -26.733 -6.838 1.00 0.00 C ATOM 521 C LYS B 3 11.944 -26.861 -7.977 1.00 0.00 C ATOM 522 O LYS B 3 12.302 -26.915 -9.137 1.00 0.00 O ATOM 523 CB LYS B 3 12.437 -25.789 -5.755 1.00 0.00 C ATOM 524 CG LYS B 3 13.497 -25.624 -4.665 1.00 0.00 C ATOM 525 CD LYS B 3 13.579 -26.905 -3.833 1.00 0.00 C ATOM 526 CE LYS B 3 15.015 -27.434 -3.847 1.00 0.00 C ATOM 527 NZ LYS B 3 15.400 -27.537 -2.413 1.00 0.00 N ATOM 0 H LYS B 3 14.080 -25.251 -7.890 1.00 0.00 H new ATOM 0 HA LYS B 3 13.130 -27.738 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS B 3 12.194 -24.819 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS B 3 11.517 -26.185 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS B 3 14.466 -25.408 -5.115 1.00 0.00 H new ATOM 0 HG3 LYS B 3 13.247 -24.778 -4.025 1.00 0.00 H new ATOM 0 HD2 LYS B 3 13.264 -26.706 -2.809 1.00 0.00 H new ATOM 0 HD3 LYS B 3 12.900 -27.656 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS B 3 15.074 -28.403 -4.342 1.00 0.00 H new ATOM 0 HE3 LYS B 3 15.679 -26.759 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 16.374 -27.894 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 15.341 -26.598 -1.969 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 14.754 -28.191 -1.926 1.00 0.00 H new ATOM 541 N LYS B 4 10.680 -26.909 -7.655 1.00 0.00 N ATOM 542 CA LYS B 4 9.644 -27.032 -8.720 1.00 0.00 C ATOM 543 C LYS B 4 8.450 -26.128 -8.403 1.00 0.00 C ATOM 544 O LYS B 4 8.143 -25.866 -7.257 1.00 0.00 O ATOM 545 CB LYS B 4 9.224 -28.501 -8.696 1.00 0.00 C ATOM 546 CG LYS B 4 10.470 -29.388 -8.630 1.00 0.00 C ATOM 547 CD LYS B 4 10.050 -30.849 -8.460 1.00 0.00 C ATOM 548 CE LYS B 4 10.766 -31.449 -7.248 1.00 0.00 C ATOM 549 NZ LYS B 4 11.541 -32.599 -7.792 1.00 0.00 N ATOM 0 H LYS B 4 10.320 -26.868 -6.701 1.00 0.00 H new ATOM 0 HA LYS B 4 10.020 -26.731 -9.698 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.582 -28.693 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.642 -28.738 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS B 4 11.060 -29.272 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS B 4 11.103 -29.082 -7.797 1.00 0.00 H new ATOM 0 HD2 LYS B 4 8.970 -30.915 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.296 -31.416 -9.358 1.00 0.00 H new ATOM 0 HE2 LYS B 4 11.422 -30.718 -6.775 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.054 -31.775 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 12.061 -33.064 -7.020 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 10.889 -33.281 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 12.215 -32.257 -8.506 1.00 0.00 H new ATOM 563 N LYS B 5 7.773 -25.648 -9.410 1.00 0.00 N ATOM 564 CA LYS B 5 6.599 -24.761 -9.165 1.00 0.00 C ATOM 565 C LYS B 5 5.617 -24.848 -10.336 1.00 0.00 C ATOM 566 O LYS B 5 5.826 -25.583 -11.281 1.00 0.00 O ATOM 567 CB LYS B 5 7.183 -23.351 -9.059 1.00 0.00 C ATOM 568 CG LYS B 5 7.814 -23.162 -7.679 1.00 0.00 C ATOM 569 CD LYS B 5 7.902 -21.670 -7.356 1.00 0.00 C ATOM 570 CE LYS B 5 7.829 -21.469 -5.841 1.00 0.00 C ATOM 571 NZ LYS B 5 8.852 -20.429 -5.541 1.00 0.00 N ATOM 0 H LYS B 5 7.981 -25.831 -10.392 1.00 0.00 H new ATOM 0 HA LYS B 5 6.049 -25.043 -8.267 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.931 -23.196 -9.837 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.400 -22.609 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.219 -23.674 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS B 5 8.808 -23.608 -7.658 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.834 -21.258 -7.743 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.089 -21.133 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS B 5 6.835 -21.145 -5.533 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.041 -22.396 -5.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 8.862 -20.236 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.789 -20.768 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 8.620 -19.555 -6.056 1.00 0.00 H new ATOM 585 N ASP B 6 4.547 -24.103 -10.282 1.00 0.00 N ATOM 586 CA ASP B 6 3.552 -24.145 -11.393 1.00 0.00 C ATOM 587 C ASP B 6 2.316 -23.317 -11.027 1.00 0.00 C ATOM 588 O ASP B 6 1.717 -23.506 -9.987 1.00 0.00 O ATOM 589 CB ASP B 6 3.185 -25.621 -11.541 1.00 0.00 C ATOM 590 CG ASP B 6 3.835 -26.185 -12.806 1.00 0.00 C ATOM 591 OD1 ASP B 6 4.628 -25.479 -13.406 1.00 0.00 O ATOM 592 OD2 ASP B 6 3.528 -27.313 -13.154 1.00 0.00 O ATOM 0 H ASP B 6 4.318 -23.467 -9.518 1.00 0.00 H new ATOM 0 HA ASP B 6 3.949 -23.730 -12.319 1.00 0.00 H new ATOM 0 HB2 ASP B 6 3.521 -26.179 -10.667 1.00 0.00 H new ATOM 0 HB3 ASP B 6 2.102 -25.734 -11.595 1.00 0.00 H new ATOM 597 N GLU B 7 1.931 -22.403 -11.874 1.00 0.00 N ATOM 598 CA GLU B 7 0.735 -21.565 -11.574 1.00 0.00 C ATOM 599 C GLU B 7 -0.190 -21.506 -12.794 1.00 0.00 C ATOM 600 O GLU B 7 0.125 -22.021 -13.848 1.00 0.00 O ATOM 601 CB GLU B 7 1.292 -20.177 -11.258 1.00 0.00 C ATOM 602 CG GLU B 7 2.402 -20.298 -10.210 1.00 0.00 C ATOM 603 CD GLU B 7 3.735 -20.573 -10.908 1.00 0.00 C ATOM 604 OE1 GLU B 7 3.776 -20.479 -12.123 1.00 0.00 O ATOM 605 OE2 GLU B 7 4.693 -20.873 -10.215 1.00 0.00 O ATOM 0 H GLU B 7 2.392 -22.200 -12.761 1.00 0.00 H new ATOM 0 HA GLU B 7 0.147 -21.966 -10.748 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.682 -19.715 -12.165 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.497 -19.530 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU B 7 2.468 -19.380 -9.627 1.00 0.00 H new ATOM 0 HG3 GLU B 7 2.172 -21.103 -9.512 1.00 0.00 H new ATOM 612 N GLY B 8 -1.329 -20.885 -12.657 1.00 0.00 N ATOM 613 CA GLY B 8 -2.271 -20.794 -13.808 1.00 0.00 C ATOM 614 C GLY B 8 -2.058 -19.469 -14.540 1.00 0.00 C ATOM 615 O GLY B 8 -1.307 -19.390 -15.493 1.00 0.00 O ATOM 0 H GLY B 8 -1.648 -20.437 -11.798 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.109 -21.628 -14.490 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.300 -20.865 -13.456 1.00 0.00 H new ATOM 619 N SER B 9 -2.712 -18.427 -14.106 1.00 0.00 N ATOM 620 CA SER B 9 -2.547 -17.108 -14.779 1.00 0.00 C ATOM 621 C SER B 9 -1.149 -16.546 -14.508 1.00 0.00 C ATOM 622 O SER B 9 -0.199 -17.281 -14.326 1.00 0.00 O ATOM 623 CB SER B 9 -3.615 -16.210 -14.156 1.00 0.00 C ATOM 624 OG SER B 9 -4.670 -17.017 -13.649 1.00 0.00 O ATOM 0 H SER B 9 -3.354 -18.432 -13.314 1.00 0.00 H new ATOM 0 HA SER B 9 -2.655 -17.181 -15.861 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.181 -15.612 -13.354 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.000 -15.513 -14.900 1.00 0.00 H new ATOM 0 HG SER B 9 -5.532 -16.629 -13.907 1.00 0.00 H new ATOM 630 N TYR B 10 -1.016 -15.248 -14.481 1.00 0.00 N ATOM 631 CA TYR B 10 0.321 -14.640 -14.222 1.00 0.00 C ATOM 632 C TYR B 10 0.176 -13.403 -13.333 1.00 0.00 C ATOM 633 O TYR B 10 -0.916 -13.005 -12.979 1.00 0.00 O ATOM 634 CB TYR B 10 0.852 -14.248 -15.602 1.00 0.00 C ATOM 635 CG TYR B 10 0.642 -15.390 -16.567 1.00 0.00 C ATOM 636 CD1 TYR B 10 1.448 -16.532 -16.487 1.00 0.00 C ATOM 637 CD2 TYR B 10 -0.358 -15.306 -17.544 1.00 0.00 C ATOM 638 CE1 TYR B 10 1.255 -17.590 -17.382 1.00 0.00 C ATOM 639 CE2 TYR B 10 -0.551 -16.364 -18.440 1.00 0.00 C ATOM 640 CZ TYR B 10 0.255 -17.506 -18.359 1.00 0.00 C ATOM 641 OH TYR B 10 0.064 -18.550 -19.242 1.00 0.00 O ATOM 0 H TYR B 10 -1.775 -14.582 -14.627 1.00 0.00 H new ATOM 0 HA TYR B 10 0.993 -15.325 -13.706 1.00 0.00 H new ATOM 0 HB2 TYR B 10 0.338 -13.356 -15.961 1.00 0.00 H new ATOM 0 HB3 TYR B 10 1.912 -14.002 -15.539 1.00 0.00 H new ATOM 0 HD1 TYR B 10 2.219 -16.596 -15.734 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -0.980 -14.425 -17.606 1.00 0.00 H new ATOM 0 HE1 TYR B 10 1.877 -18.471 -17.320 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -1.322 -16.299 -19.194 1.00 0.00 H new ATOM 0 HH TYR B 10 -0.670 -18.331 -19.854 1.00 0.00 H new ATOM 651 N ASP B 11 1.270 -12.792 -12.968 1.00 0.00 N ATOM 652 CA ASP B 11 1.199 -11.585 -12.102 1.00 0.00 C ATOM 653 C ASP B 11 0.884 -10.343 -12.942 1.00 0.00 C ATOM 654 O ASP B 11 0.962 -9.227 -12.467 1.00 0.00 O ATOM 655 CB ASP B 11 2.586 -11.468 -11.470 1.00 0.00 C ATOM 656 CG ASP B 11 2.853 -12.694 -10.595 1.00 0.00 C ATOM 657 OD1 ASP B 11 3.098 -13.752 -11.151 1.00 0.00 O ATOM 658 OD2 ASP B 11 2.810 -12.554 -9.384 1.00 0.00 O ATOM 0 H ASP B 11 2.212 -13.079 -13.234 1.00 0.00 H new ATOM 0 HA ASP B 11 0.414 -11.664 -11.350 1.00 0.00 H new ATOM 0 HB2 ASP B 11 3.346 -11.390 -12.247 1.00 0.00 H new ATOM 0 HB3 ASP B 11 2.649 -10.560 -10.871 1.00 0.00 H new ATOM 663 N LEU B 12 0.531 -10.528 -14.186 1.00 0.00 N ATOM 664 CA LEU B 12 0.213 -9.360 -15.056 1.00 0.00 C ATOM 665 C LEU B 12 -0.608 -8.325 -14.280 1.00 0.00 C ATOM 666 O LEU B 12 -1.539 -8.660 -13.575 1.00 0.00 O ATOM 667 CB LEU B 12 -0.608 -9.939 -16.208 1.00 0.00 C ATOM 668 CG LEU B 12 0.256 -10.907 -17.018 1.00 0.00 C ATOM 669 CD1 LEU B 12 -0.637 -11.953 -17.687 1.00 0.00 C ATOM 670 CD2 LEU B 12 1.022 -10.130 -18.091 1.00 0.00 C ATOM 0 H LEU B 12 0.449 -11.439 -14.637 1.00 0.00 H new ATOM 0 HA LEU B 12 1.111 -8.852 -15.407 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.485 -10.457 -15.819 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.971 -9.136 -16.849 1.00 0.00 H new ATOM 0 HG LEU B 12 0.963 -11.405 -16.354 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.021 -12.642 -18.264 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -1.183 -12.507 -16.924 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -1.345 -11.456 -18.351 1.00 0.00 H new ATOM 0 HD21 LEU B 12 1.638 -10.819 -18.669 1.00 0.00 H new ATOM 0 HD22 LEU B 12 0.315 -9.632 -18.754 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.660 -9.385 -17.615 1.00 0.00 H new ATOM 682 N GLY B 13 -0.270 -7.071 -14.406 1.00 0.00 N ATOM 683 CA GLY B 13 -1.030 -6.018 -13.676 1.00 0.00 C ATOM 684 C GLY B 13 -2.330 -5.713 -14.422 1.00 0.00 C ATOM 685 O GLY B 13 -3.389 -6.183 -14.060 1.00 0.00 O ATOM 0 H GLY B 13 0.499 -6.730 -14.983 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.250 -6.351 -12.662 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.427 -5.114 -13.590 1.00 0.00 H new ATOM 689 N LYS B 14 -2.256 -4.932 -15.466 1.00 0.00 N ATOM 690 CA LYS B 14 -3.488 -4.600 -16.235 1.00 0.00 C ATOM 691 C LYS B 14 -3.125 -3.881 -17.536 1.00 0.00 C ATOM 692 O LYS B 14 -2.868 -4.502 -18.549 1.00 0.00 O ATOM 693 CB LYS B 14 -4.298 -3.685 -15.315 1.00 0.00 C ATOM 694 CG LYS B 14 -5.349 -4.511 -14.569 1.00 0.00 C ATOM 695 CD LYS B 14 -5.152 -4.346 -13.061 1.00 0.00 C ATOM 696 CE LYS B 14 -6.215 -5.155 -12.314 1.00 0.00 C ATOM 697 NZ LYS B 14 -7.360 -4.218 -12.145 1.00 0.00 N ATOM 0 H LYS B 14 -1.397 -4.510 -15.819 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.051 -5.490 -16.517 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -3.637 -3.190 -14.603 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -4.782 -2.902 -15.898 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -6.350 -4.187 -14.853 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -5.264 -5.562 -14.845 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -4.156 -4.683 -12.775 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -5.223 -3.293 -12.788 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -6.508 -6.039 -12.880 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -5.843 -5.502 -11.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -8.131 -4.700 -11.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -7.052 -3.389 -11.597 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -7.697 -3.910 -13.079 1.00 0.00 H new ATOM 711 N LYS B 15 -3.103 -2.579 -17.519 1.00 0.00 N ATOM 712 CA LYS B 15 -2.758 -1.821 -18.756 1.00 0.00 C ATOM 713 C LYS B 15 -1.692 -0.763 -18.448 1.00 0.00 C ATOM 714 O LYS B 15 -1.883 0.077 -17.593 1.00 0.00 O ATOM 715 CB LYS B 15 -4.064 -1.155 -19.188 1.00 0.00 C ATOM 716 CG LYS B 15 -5.031 -2.218 -19.714 1.00 0.00 C ATOM 717 CD LYS B 15 -5.478 -1.847 -21.130 1.00 0.00 C ATOM 718 CE LYS B 15 -4.776 -2.755 -22.141 1.00 0.00 C ATOM 719 NZ LYS B 15 -5.654 -2.739 -23.345 1.00 0.00 N ATOM 0 H LYS B 15 -3.309 -2.005 -16.702 1.00 0.00 H new ATOM 0 HA LYS B 15 -2.351 -2.465 -19.536 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -4.511 -0.627 -18.346 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -3.867 -0.413 -19.962 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -4.547 -3.195 -19.718 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -5.897 -2.294 -19.056 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -6.559 -1.952 -21.221 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -5.240 -0.803 -21.336 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -3.777 -2.387 -22.376 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -4.660 -3.766 -21.750 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -5.239 -3.340 -24.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -6.596 -3.101 -23.093 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -5.741 -1.765 -23.699 1.00 0.00 H new ATOM 733 N PRO B 16 -0.601 -0.841 -19.163 1.00 0.00 N ATOM 734 CA PRO B 16 0.508 0.124 -18.964 1.00 0.00 C ATOM 735 C PRO B 16 0.133 1.494 -19.536 1.00 0.00 C ATOM 736 O PRO B 16 0.112 1.694 -20.734 1.00 0.00 O ATOM 737 CB PRO B 16 1.664 -0.494 -19.747 1.00 0.00 C ATOM 738 CG PRO B 16 1.015 -1.356 -20.783 1.00 0.00 C ATOM 739 CD PRO B 16 -0.300 -1.823 -20.211 1.00 0.00 C ATOM 0 HA PRO B 16 0.750 0.289 -17.914 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.285 0.275 -20.206 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.312 -1.080 -19.096 1.00 0.00 H new ATOM 0 HG2 PRO B 16 0.857 -0.797 -21.705 1.00 0.00 H new ATOM 0 HG3 PRO B 16 1.651 -2.206 -21.030 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -1.080 -1.846 -20.972 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -0.222 -2.831 -19.803 1.00 0.00 H new ATOM 747 N ILE B 17 -0.162 2.441 -18.687 1.00 0.00 N ATOM 748 CA ILE B 17 -0.536 3.797 -19.182 1.00 0.00 C ATOM 749 C ILE B 17 0.712 4.671 -19.326 1.00 0.00 C ATOM 750 O ILE B 17 1.818 4.238 -19.068 1.00 0.00 O ATOM 751 CB ILE B 17 -1.468 4.369 -18.119 1.00 0.00 C ATOM 752 CG1 ILE B 17 -2.472 3.297 -17.685 1.00 0.00 C ATOM 753 CG2 ILE B 17 -2.223 5.569 -18.693 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.082 2.763 -16.306 1.00 0.00 C ATOM 0 H ILE B 17 -0.160 2.334 -17.673 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.013 3.758 -20.161 1.00 0.00 H new ATOM 0 HB ILE B 17 -0.880 4.686 -17.257 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.478 3.717 -17.653 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.489 2.484 -18.411 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.889 5.977 -17.933 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.510 6.334 -19.000 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.809 5.252 -19.556 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.796 2.000 -15.996 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.084 2.328 -16.353 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -2.088 3.580 -15.584 1.00 0.00 H new ATOM 766 N TYR B 18 0.545 5.898 -19.737 1.00 0.00 N ATOM 767 CA TYR B 18 1.723 6.800 -19.897 1.00 0.00 C ATOM 768 C TYR B 18 1.276 8.263 -19.860 1.00 0.00 C ATOM 769 O TYR B 18 1.393 8.982 -20.832 1.00 0.00 O ATOM 770 CB TYR B 18 2.306 6.450 -21.266 1.00 0.00 C ATOM 771 CG TYR B 18 3.813 6.439 -21.184 1.00 0.00 C ATOM 772 CD1 TYR B 18 4.460 5.564 -20.304 1.00 0.00 C ATOM 773 CD2 TYR B 18 4.564 7.305 -21.988 1.00 0.00 C ATOM 774 CE1 TYR B 18 5.858 5.554 -20.228 1.00 0.00 C ATOM 775 CE2 TYR B 18 5.962 7.297 -21.911 1.00 0.00 C ATOM 776 CZ TYR B 18 6.609 6.420 -21.032 1.00 0.00 C ATOM 777 OH TYR B 18 7.987 6.411 -20.956 1.00 0.00 O ATOM 0 H TYR B 18 -0.356 6.316 -19.969 1.00 0.00 H new ATOM 0 HA TYR B 18 2.454 6.672 -19.099 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.942 5.475 -21.590 1.00 0.00 H new ATOM 0 HB3 TYR B 18 1.977 7.176 -22.010 1.00 0.00 H new ATOM 0 HD1 TYR B 18 3.881 4.896 -19.683 1.00 0.00 H new ATOM 0 HD2 TYR B 18 4.065 7.979 -22.668 1.00 0.00 H new ATOM 0 HE1 TYR B 18 6.357 4.878 -19.549 1.00 0.00 H new ATOM 0 HE2 TYR B 18 6.541 7.967 -22.529 1.00 0.00 H new ATOM 0 HH TYR B 18 8.353 7.071 -21.581 1.00 0.00 H new ATOM 787 N LYS B 19 0.764 8.709 -18.747 1.00 0.00 N ATOM 788 CA LYS B 19 0.310 10.127 -18.649 1.00 0.00 C ATOM 789 C LYS B 19 0.780 10.744 -17.329 1.00 0.00 C ATOM 790 O LYS B 19 0.891 10.072 -16.323 1.00 0.00 O ATOM 791 CB LYS B 19 -1.218 10.058 -18.694 1.00 0.00 C ATOM 792 CG LYS B 19 -1.738 10.977 -19.800 1.00 0.00 C ATOM 793 CD LYS B 19 -1.746 10.222 -21.130 1.00 0.00 C ATOM 794 CE LYS B 19 -2.575 11.000 -22.155 1.00 0.00 C ATOM 795 NZ LYS B 19 -1.714 12.148 -22.554 1.00 0.00 N ATOM 0 H LYS B 19 0.640 8.154 -17.900 1.00 0.00 H new ATOM 0 HA LYS B 19 0.714 10.746 -19.450 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.541 9.033 -18.876 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.635 10.357 -17.732 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.744 11.321 -19.559 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.108 11.863 -19.877 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -0.726 10.094 -21.493 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -2.163 9.224 -20.991 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -2.826 10.378 -23.014 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -3.516 11.343 -21.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -2.292 13.010 -22.617 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -0.966 12.284 -21.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -1.282 11.953 -23.480 1.00 0.00 H new ATOM 809 N LYS B 20 1.057 12.020 -17.326 1.00 0.00 N ATOM 810 CA LYS B 20 1.517 12.682 -16.074 1.00 0.00 C ATOM 811 C LYS B 20 1.909 14.135 -16.360 1.00 0.00 C ATOM 812 O LYS B 20 3.019 14.422 -16.763 1.00 0.00 O ATOM 813 CB LYS B 20 2.737 11.876 -15.621 1.00 0.00 C ATOM 814 CG LYS B 20 3.534 12.683 -14.594 1.00 0.00 C ATOM 815 CD LYS B 20 3.978 11.764 -13.454 1.00 0.00 C ATOM 816 CE LYS B 20 2.981 11.864 -12.298 1.00 0.00 C ATOM 817 NZ LYS B 20 3.094 13.267 -11.814 1.00 0.00 N ATOM 0 H LYS B 20 0.984 12.632 -18.138 1.00 0.00 H new ATOM 0 HA LYS B 20 0.740 12.706 -15.310 1.00 0.00 H new ATOM 0 HB2 LYS B 20 2.418 10.929 -15.186 1.00 0.00 H new ATOM 0 HB3 LYS B 20 3.366 11.637 -16.478 1.00 0.00 H new ATOM 0 HG2 LYS B 20 4.404 13.137 -15.069 1.00 0.00 H new ATOM 0 HG3 LYS B 20 2.924 13.497 -14.202 1.00 0.00 H new ATOM 0 HD2 LYS B 20 4.040 10.734 -13.806 1.00 0.00 H new ATOM 0 HD3 LYS B 20 4.975 12.045 -13.114 1.00 0.00 H new ATOM 0 HE2 LYS B 20 1.967 11.641 -12.631 1.00 0.00 H new ATOM 0 HE3 LYS B 20 3.220 11.153 -11.507 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 3.066 13.279 -10.774 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 3.993 13.676 -12.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.302 13.828 -12.188 1.00 0.00 H new ATOM 831 N ALA B 21 1.004 15.054 -16.156 1.00 0.00 N ATOM 832 CA ALA B 21 1.325 16.486 -16.417 1.00 0.00 C ATOM 833 C ALA B 21 0.443 17.391 -15.552 1.00 0.00 C ATOM 834 O ALA B 21 -0.741 17.518 -15.792 1.00 0.00 O ATOM 835 CB ALA B 21 1.018 16.697 -17.899 1.00 0.00 C ATOM 0 H ALA B 21 0.058 14.875 -15.820 1.00 0.00 H new ATOM 0 HA ALA B 21 2.360 16.728 -16.177 1.00 0.00 H new ATOM 0 HB1 ALA B 21 1.229 17.731 -18.171 1.00 0.00 H new ATOM 0 HB2 ALA B 21 1.639 16.030 -18.498 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -0.033 16.480 -18.087 1.00 0.00 H new ATOM 841 N PRO B 22 1.057 17.993 -14.569 1.00 0.00 N ATOM 842 CA PRO B 22 0.323 18.899 -13.652 1.00 0.00 C ATOM 843 C PRO B 22 -0.017 20.215 -14.360 1.00 0.00 C ATOM 844 O PRO B 22 0.769 20.730 -15.128 1.00 0.00 O ATOM 845 CB PRO B 22 1.312 19.133 -12.513 1.00 0.00 C ATOM 846 CG PRO B 22 2.660 18.893 -13.115 1.00 0.00 C ATOM 847 CD PRO B 22 2.478 17.888 -14.222 1.00 0.00 C ATOM 0 HA PRO B 22 -0.625 18.486 -13.308 1.00 0.00 H new ATOM 0 HB2 PRO B 22 1.230 20.147 -12.121 1.00 0.00 H new ATOM 0 HB3 PRO B 22 1.124 18.453 -11.682 1.00 0.00 H new ATOM 0 HG2 PRO B 22 3.080 19.821 -13.503 1.00 0.00 H new ATOM 0 HG3 PRO B 22 3.356 18.518 -12.365 1.00 0.00 H new ATOM 0 HD2 PRO B 22 3.115 18.116 -15.076 1.00 0.00 H new ATOM 0 HD3 PRO B 22 2.735 16.881 -13.893 1.00 0.00 H new ATOM 855 N THR B 23 -1.184 20.751 -14.098 1.00 0.00 N ATOM 856 CA THR B 23 -1.609 22.036 -14.740 1.00 0.00 C ATOM 857 C THR B 23 -1.024 22.172 -16.151 1.00 0.00 C ATOM 858 O THR B 23 -0.770 21.193 -16.824 1.00 0.00 O ATOM 859 CB THR B 23 -1.091 23.143 -13.806 1.00 0.00 C ATOM 860 OG1 THR B 23 -1.908 24.295 -13.951 1.00 0.00 O ATOM 861 CG2 THR B 23 0.360 23.505 -14.144 1.00 0.00 C ATOM 0 H THR B 23 -1.869 20.348 -13.459 1.00 0.00 H new ATOM 0 HA THR B 23 -2.691 22.089 -14.865 1.00 0.00 H new ATOM 0 HB THR B 23 -1.129 22.781 -12.779 1.00 0.00 H new ATOM 0 HG1 THR B 23 -1.583 25.003 -13.357 1.00 0.00 H new ATOM 0 HG21 THR B 23 0.705 24.290 -13.471 1.00 0.00 H new ATOM 0 HG22 THR B 23 0.991 22.624 -14.028 1.00 0.00 H new ATOM 0 HG23 THR B 23 0.416 23.859 -15.173 1.00 0.00 H new ATOM 869 N ASN B 24 -0.809 23.378 -16.601 1.00 0.00 N ATOM 870 CA ASN B 24 -0.241 23.574 -17.966 1.00 0.00 C ATOM 871 C ASN B 24 -0.070 25.067 -18.258 1.00 0.00 C ATOM 872 O ASN B 24 -0.680 25.907 -17.626 1.00 0.00 O ATOM 873 CB ASN B 24 -1.268 22.955 -18.914 1.00 0.00 C ATOM 874 CG ASN B 24 -0.622 21.807 -19.690 1.00 0.00 C ATOM 875 OD1 ASN B 24 -0.579 20.688 -19.218 1.00 0.00 O ATOM 876 ND2 ASN B 24 -0.112 22.037 -20.869 1.00 0.00 N ATOM 0 H ASN B 24 -1.002 24.236 -16.083 1.00 0.00 H new ATOM 0 HA ASN B 24 0.742 23.116 -18.075 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -2.125 22.589 -18.349 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -1.641 23.710 -19.606 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.322 21.278 -21.394 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.148 22.976 -21.266 1.00 0.00 H new ATOM 883 N GLU B 25 0.754 25.404 -19.211 1.00 0.00 N ATOM 884 CA GLU B 25 0.963 26.843 -19.543 1.00 0.00 C ATOM 885 C GLU B 25 1.767 26.976 -20.838 1.00 0.00 C ATOM 886 O GLU B 25 2.970 27.145 -20.820 1.00 0.00 O ATOM 887 CB GLU B 25 1.751 27.410 -18.361 1.00 0.00 C ATOM 888 CG GLU B 25 3.094 26.687 -18.249 1.00 0.00 C ATOM 889 CD GLU B 25 4.224 27.648 -18.625 1.00 0.00 C ATOM 890 OE1 GLU B 25 4.265 28.732 -18.066 1.00 0.00 O ATOM 891 OE2 GLU B 25 5.031 27.283 -19.466 1.00 0.00 O ATOM 0 H GLU B 25 1.292 24.746 -19.775 1.00 0.00 H new ATOM 0 HA GLU B 25 0.023 27.372 -19.699 1.00 0.00 H new ATOM 0 HB2 GLU B 25 1.912 28.479 -18.497 1.00 0.00 H new ATOM 0 HB3 GLU B 25 1.182 27.288 -17.439 1.00 0.00 H new ATOM 0 HG2 GLU B 25 3.238 26.320 -17.233 1.00 0.00 H new ATOM 0 HG3 GLU B 25 3.107 25.818 -18.907 1.00 0.00 H new ATOM 898 N PHE B 26 1.112 26.901 -21.965 1.00 0.00 N ATOM 899 CA PHE B 26 1.839 27.022 -23.260 1.00 0.00 C ATOM 900 C PHE B 26 0.860 26.898 -24.431 1.00 0.00 C ATOM 901 O PHE B 26 0.058 25.988 -24.488 1.00 0.00 O ATOM 902 CB PHE B 26 2.834 25.860 -23.267 1.00 0.00 C ATOM 903 CG PHE B 26 4.207 26.376 -23.625 1.00 0.00 C ATOM 904 CD1 PHE B 26 4.678 27.567 -23.060 1.00 0.00 C ATOM 905 CD2 PHE B 26 5.011 25.662 -24.522 1.00 0.00 C ATOM 906 CE1 PHE B 26 5.951 28.045 -23.392 1.00 0.00 C ATOM 907 CE2 PHE B 26 6.284 26.139 -24.855 1.00 0.00 C ATOM 908 CZ PHE B 26 6.755 27.330 -24.289 1.00 0.00 C ATOM 0 H PHE B 26 0.105 26.761 -22.044 1.00 0.00 H new ATOM 0 HA PHE B 26 2.337 27.986 -23.364 1.00 0.00 H new ATOM 0 HB2 PHE B 26 2.857 25.381 -22.288 1.00 0.00 H new ATOM 0 HB3 PHE B 26 2.520 25.102 -23.985 1.00 0.00 H new ATOM 0 HD1 PHE B 26 4.059 28.118 -22.367 1.00 0.00 H new ATOM 0 HD2 PHE B 26 4.648 24.742 -24.957 1.00 0.00 H new ATOM 0 HE1 PHE B 26 6.313 28.965 -22.957 1.00 0.00 H new ATOM 0 HE2 PHE B 26 6.903 25.589 -25.548 1.00 0.00 H new ATOM 0 HZ PHE B 26 7.738 27.697 -24.544 1.00 0.00 H new ATOM 918 N TYR B 27 0.920 27.808 -25.365 1.00 0.00 N ATOM 919 CA TYR B 27 -0.008 27.740 -26.531 1.00 0.00 C ATOM 920 C TYR B 27 0.778 27.845 -27.840 1.00 0.00 C ATOM 921 O TYR B 27 0.870 26.899 -28.597 1.00 0.00 O ATOM 922 CB TYR B 27 -0.938 28.943 -26.366 1.00 0.00 C ATOM 923 CG TYR B 27 -1.599 28.886 -25.010 1.00 0.00 C ATOM 924 CD1 TYR B 27 -2.482 27.843 -24.705 1.00 0.00 C ATOM 925 CD2 TYR B 27 -1.331 29.877 -24.058 1.00 0.00 C ATOM 926 CE1 TYR B 27 -3.095 27.790 -23.447 1.00 0.00 C ATOM 927 CE2 TYR B 27 -1.944 29.824 -22.800 1.00 0.00 C ATOM 928 CZ TYR B 27 -2.827 28.781 -22.496 1.00 0.00 C ATOM 929 OH TYR B 27 -3.432 28.730 -21.256 1.00 0.00 O ATOM 0 H TYR B 27 1.570 28.594 -25.372 1.00 0.00 H new ATOM 0 HA TYR B 27 -0.559 26.800 -26.567 1.00 0.00 H new ATOM 0 HB2 TYR B 27 -0.373 29.870 -26.468 1.00 0.00 H new ATOM 0 HB3 TYR B 27 -1.694 28.942 -27.151 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -2.690 27.079 -25.440 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -0.651 30.683 -24.294 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -3.774 26.984 -23.211 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -1.736 30.587 -22.065 1.00 0.00 H new ATOM 0 HH TYR B 27 -3.136 29.493 -20.716 1.00 0.00 H new ATOM 939 N ALA B 28 1.347 28.987 -28.112 1.00 0.00 N ATOM 940 CA ALA B 28 2.127 29.151 -29.373 1.00 0.00 C ATOM 941 C ALA B 28 1.338 28.588 -30.559 1.00 0.00 C ATOM 942 O ALA B 28 0.130 28.752 -30.573 1.00 0.00 O ATOM 943 CB ALA B 28 3.409 28.348 -29.152 1.00 0.00 C ATOM 944 OXT ALA B 28 1.958 28.003 -31.432 1.00 0.00 O ATOM 0 H ALA B 28 1.306 29.814 -27.516 1.00 0.00 H new ATOM 0 HA ALA B 28 2.335 30.197 -29.598 1.00 0.00 H new ATOM 0 HB1 ALA B 28 4.040 28.418 -30.038 1.00 0.00 H new ATOM 0 HB2 ALA B 28 3.946 28.749 -28.292 1.00 0.00 H new ATOM 0 HB3 ALA B 28 3.157 27.304 -28.968 1.00 0.00 H new TER 950 ALA B 28